| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063121
BDB063121
|
BDBM50612921
c1cc(-c2ccc3scnc3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1
|
C21H21N7S 403.515000 |
JGBBOFXARFKLTD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612921; PubChem:CID171348806
|
Local ready
Direct docking supported
|
|
E3L063122
BDB063122
|
BDBM50612922
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C23H24FN7S 449.559000 |
LXMPQGDLOHXKAK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612922; PubChem:CID171353808
|
Local ready
Direct docking supported
|
|
E3L063123
BDB063123
|
BDBM50612923
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C26H28FN7O2S 521.622000 |
JPOMSVWUCYBXCX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612923; PubChem:CID171348341
|
Local ready
Direct docking supported
|
|
E3L063124
BDB063124
|
BDBM50612924
Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
|
C21H20FN7S 421.505000 |
IQMDYVWGULCJPD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612924; PubChem:CID171346328
|
Local ready
Direct docking supported
|
|
E3L063125
BDB063125
|
BDBM50612925
CCN1CCN(C(=O)c2ccc(Nc3ncc(C)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C24H25N7OS 459.579000 |
QEWNDBARGCMPNH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612925; PubChem:CID171357868
|
Local ready
Direct docking supported
|
|
E3L063126
BDB063126
|
BDBM50612926
Cc1cnc(Nc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)nc1-c1ccc2scnc2c1
|
C27H29N7O3S 531.642000 |
RRLZMTSNWJVIEZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612926; PubChem:CID171343352
|
Local ready
Direct docking supported
|
|
E3L063127
BDB063127
|
BDBM50612927
Cc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2scnc2c1
|
C22H21N7OS 431.525000 |
MYSLRACEMAVVLZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612927; PubChem:CID171349076
|
Local ready
Direct docking supported
|
|
E3L063128
BDB063128
|
BDBM50612928
COc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2scnc2c1
|
C22H21N7O2S 447.524000 |
WTRWEXOEEMJOOD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612928; PubChem:CID171347880
|
Local ready
Direct docking supported
|
|
E3L063129
BDB063129
|
BDBM50612929
CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc5scnc5c4)n3)nc2)CC1
|
C23H23N7OS 445.552000 |
RGRRHQWMAQNGTO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612929; PubChem:CID171348036
|
Local ready
Direct docking supported
|
|
E3L063130
BDB063130
|
BDBM50612930
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc5scnc5c4)n3)nc2)CC1
|
C26H27N7O3S 517.615000 |
SDSYRSVHFDEXHJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612930; PubChem:CID171346052
|
Local ready
Direct docking supported
|
|
E3L063131
BDB063131
|
BDBM50612931
O=C(c1ccc(Nc2nccc(-c3ccc4scnc4c3)n2)nc1)N1CCNCC1
|
C21H19N7OS 417.498000 |
RRXNBGUNNALUBF-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612931; PubChem:CID171345560
|
Local ready
Direct docking supported
|
|
E3L063132
BDB063132
|
BDBM50612932
CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C23H22FN7OS 463.542000 |
OKTYOQDCSIQOTQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612932; PubChem:CID171355557
|
Local ready
Direct docking supported
|
|
E3L063133
BDB063133
|
BDBM50612933
CC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C23H20FN7O2S 477.525000 |
XTLYSRBNFWCXNB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612933; PubChem:CID171342556
|
Local ready
Direct docking supported
|
|
E3L063134
BDB063134
|
BDBM50612934
O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCN(C(=O)C2CC2)CC1
|
C25H22FN7O2S 503.563000 |
JFRWDFXEEIFVJB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612934; PubChem:CID171353635
|
Local ready
Direct docking supported
|
|
E3L063135
BDB063135
|
BDBM50612935
CCOC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C24H22FN7O3S 507.551000 |
WMCRINFSROJMPG-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612935; PubChem:CID171350237
|
Local ready
Direct docking supported
|
|
E3L063136
BDB063136
|
BDBM50612936
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C26H26FN7O3S 535.605000 |
WZCWUBLRHAZDKA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612936; PubChem:CID171347044
|
Local ready
Direct docking supported
|
|
E3L063137
BDB063137
|
BDBM50612937
O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCN(c2ccccc2)CC1
|
C27H22FN7OS 511.586000 |
ZKHVRKKJZLTSGJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612937; PubChem:CID171353094
|
Local ready
Direct docking supported
|
|
E3L063138
BDB063138
|
BDBM50612938
O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCNCC1
|
C21H18FN7OS 435.488000 |
FXOGSEZDYASZGS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612938; PubChem:CID167312377
|
Local ready
Direct docking supported
|
|
E3L063139
BDB063139
|
BDBM50612939
CCN1CCN(C(=O)c2cnc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C22H21FN8OS 464.530000 |
RJABMGKNVKJZHS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612939; PubChem:CID171348088
|
Local ready
Direct docking supported
|
|
E3L063140
BDB063140
|
BDBM50612940
CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
|
C25H25FN8O3S 536.593000 |
GOLYKWMUWHYJCR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612940; PubChem:CID171347892
|
Local ready
Direct docking supported
|